MMsINC Database Search


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MMsINC code: MMs02656506

Type: Neutral
Formula: C₆H₁₀N₄O

SMILES:

O=C(N)c1ncn(C)c1NC

InChI:

InChI=1/C6H10N4O/c1-8-6-4(5(7)11)9-3-10(6)2/h3,8H,1-2H3,(H2,7,11)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.5305 kcal/mol

Physical Properties
Molecular Weight: 154.173 g/mol	logS: -0.39587	SlogP: -0.0801	Reactive groups: 0

Topological Properties
Globularity: 0.0587373	Sterimol/B1: 2.45486	Sterimol/B2: 2.53642	Sterimol/B3: 2.97882
Sterimol/B4: 6.5037	Sterimol/L: 10.1042

Surface and Volume Properties
Accessible surface: 335.387	Positive charged surface: 273.455	Negative charged surface: 61.9317	Volume: 146.375
Hydrophobic surface: 200.973	Hydrophilic surface: 134.414

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.